CID 231074

7148-05-2

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CCOC(=O)CCN1CCN(CC1)C
InChI
InChI=1S/C10H20N2O2/c1-3-14-10(13)4-5-12-8-6-11(2)7-9-12/h3-9H2,1-2H3
InChIKey
WQLYUEPNQYYYIH-UHFFFAOYSA-N
Compound name
ethyl 3-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

200.15248 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 148.2
[M+Na]+ 223.141698 153.1
[M-H]- 199.145204 147.9
[M+NH4]+ 218.186303 164.7
[M+K]+ 239.115638 152.3
[M+H-H2O]+ 183.149740 140.5
[M+HCOO]- 245.150681 165.1
[M+CH3COO]- 259.166331 185.3
[M+Na-2H]- 221.127146 150.9
[M]+ 200.15193142 147.1
[M]- 200.15302858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe